# By using this file you agree to the legally binding terms of use found at
# https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md.
# To request access to the AlphaFold 3 model parameters, follow the process set
# out at https://github.com/google-deepmind/alphafold3. You may only use these if
# received directly from Google. Use is subject to terms of use available at
# https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md.
data_spkb15329
#
_entry.id spkb15329
#
loop_
_atom_type.symbol
C 
N 
O 
S 
#
loop_
_audit_author.name
_audit_author.pdbx_ordinal
"Google DeepMind" 1 
"Isomorphic Labs" 2 
#
_audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic
_audit_conform.dict_name     mmcif_ma.dic
_audit_conform.dict_version  1.4.5
#
loop_
_chem_comp.formula
_chem_comp.formula_weight
_chem_comp.id
_chem_comp.mon_nstd_flag
_chem_comp.name
_chem_comp.pdbx_smiles
_chem_comp.pdbx_synonyms
_chem_comp.type
"C3 H7 N O2"    89.093  ALA y ALANINE       C[C@@H](C(=O)O)N                     ? "L-PEPTIDE LINKING" 
"C3 H7 N O2 S"  121.158 CYS y CYSTEINE      C([C@@H](C(=O)O)N)S                  ? "L-PEPTIDE LINKING" 
"C6 H13 N O2"   131.173 ILE y ISOLEUCINE    CC[C@H](C)[C@@H](C(=O)O)N            ? "L-PEPTIDE LINKING" 
"C6 H15 N2 O2"  147.195 LYS y LYSINE        C(CC[NH3+])C[C@@H](C(=O)O)N          ? "L-PEPTIDE LINKING" 
"C5 H11 N O2 S" 149.211 MET y METHIONINE    CSCC[C@@H](C(=O)O)N                  ? "L-PEPTIDE LINKING" 
"C9 H11 N O2"   165.189 PHE y PHENYLALANINE c1ccc(cc1)C[C@@H](C(=O)O)N           ? "L-PEPTIDE LINKING" 
"C4 H9 N O3"    119.119 THR y THREONINE     C[C@H]([C@@H](C(=O)O)N)O             ? "L-PEPTIDE LINKING" 
"C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN    c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" 
"C9 H11 N O3"   181.189 TYR y TYROSINE      c1cc(ccc1C[C@@H](C(=O)O)N)O          ? "L-PEPTIDE LINKING" 
"C5 H11 N O2"   117.146 VAL y VALINE        CC(C)[C@@H](C(=O)O)N                 ? "L-PEPTIDE LINKING" 
#
_citation.book_publisher          ?
_citation.country                 UK
_citation.id                      primary
_citation.journal_full            Nature
_citation.journal_id_ASTM         NATUAS
_citation.journal_id_CSD          0006
_citation.journal_id_ISSN         0028-0836
_citation.journal_volume          630
_citation.page_first              493
_citation.page_last               500
_citation.pdbx_database_id_DOI    10.1038/s41586-024-07487-w
_citation.pdbx_database_id_PubMed 38718835
_citation.title                   "Accurate structure prediction of biomolecular interactions with AlphaFold 3"
_citation.year                    2024
#
loop_
_citation_author.citation_id
_citation_author.name
_citation_author.ordinal
primary "Google DeepMind" 1 
primary "Isomorphic Labs" 2 
#
_entity.id               1
_entity.pdbx_description .
_entity.type             polymer
#
_entity_poly.entity_id      1
_entity_poly.pdbx_strand_id A
_entity_poly.type           polypeptide(L)
#
loop_
_entity_poly_seq.entity_id
_entity_poly_seq.hetero
_entity_poly_seq.mon_id
_entity_poly_seq.num
1 n MET 1  
1 n LYS 2  
1 n ILE 3  
1 n ILE 4  
1 n THR 5  
1 n TYR 6  
1 n PHE 7  
1 n CYS 8  
1 n ILE 9  
1 n TRP 10 
1 n ALA 11 
1 n VAL 12 
1 n ALA 13 
1 n TRP 14 
1 n ALA 15 
#
_ma_data.content_type "model coordinates"
_ma_data.id           1
_ma_data.name         Model
#
_ma_model_list.data_id          1
_ma_model_list.model_group_id   1
_ma_model_list.model_group_name "AlphaFold-beta-20231127 (3.0.0 @ 2025-07-04 03:18:50)"
_ma_model_list.model_id         1
_ma_model_list.model_name       "Top ranked model"
_ma_model_list.model_type       "Ab initio model"
_ma_model_list.ordinal_id       1
#
loop_
_ma_protocol_step.method_type
_ma_protocol_step.ordinal_id
_ma_protocol_step.protocol_id
_ma_protocol_step.step_id
"coevolution MSA" 1 1 1 
"template search" 2 1 2 
modeling          3 1 3 
#
loop_
_ma_qa_metric.id
_ma_qa_metric.mode
_ma_qa_metric.name
_ma_qa_metric.software_group_id
_ma_qa_metric.type
1 global pLDDT 1 pLDDT 
2 local  pLDDT 1 pLDDT 
#
_ma_qa_metric_global.metric_id    1
_ma_qa_metric_global.metric_value 95.15
_ma_qa_metric_global.model_id     1
_ma_qa_metric_global.ordinal_id   1
#
loop_
_ma_qa_metric_local.label_asym_id
_ma_qa_metric_local.label_comp_id
_ma_qa_metric_local.label_seq_id
_ma_qa_metric_local.metric_id
_ma_qa_metric_local.metric_value
_ma_qa_metric_local.model_id
_ma_qa_metric_local.ordinal_id
A MET 1  2 87.01 1 1  
A LYS 2  2 88.49 1 2  
A ILE 3  2 96.09 1 3  
A ILE 4  2 96.76 1 4  
A THR 5  2 96.30 1 5  
A TYR 6  2 96.00 1 6  
A PHE 7  2 96.59 1 7  
A CYS 8  2 97.65 1 8  
A ILE 9  2 97.26 1 9  
A TRP 10 2 96.01 1 10 
A ALA 11 2 98.20 1 11 
A VAL 12 2 97.60 1 12 
A ALA 13 2 98.20 1 13 
A TRP 14 2 94.20 1 14 
A ALA 15 2 93.79 1 15 
#
_ma_software_group.group_id    1
_ma_software_group.ordinal_id  1
_ma_software_group.software_id 1
#
_ma_target_entity.data_id   1
_ma_target_entity.entity_id 1
_ma_target_entity.origin    .
#
_ma_target_entity_instance.asym_id   A
_ma_target_entity_instance.details   .
_ma_target_entity_instance.entity_id 1
#
loop_
_pdbx_data_usage.details
_pdbx_data_usage.id
_pdbx_data_usage.type
_pdbx_data_usage.url
;Non-commercial use only, by using this file you agree to the terms of use found
at https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md.
To request access to the AlphaFold 3 model parameters, follow the process set
out at https://github.com/google-deepmind/alphafold3. You may only use these if
received directly from Google. Use is subject to terms of use available at
https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md.
;
1 license    https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md 
;AlphaFold 3 and its output are not intended for, have not been validated for,
and are not approved for clinical use. They are provided "as-is" without any
warranty of any kind, whether expressed or implied. No warranty is given that
use shall not infringe the rights of any third party.
;
2 disclaimer ?                                                                              
#
loop_
_pdbx_poly_seq_scheme.asym_id
_pdbx_poly_seq_scheme.auth_seq_num
_pdbx_poly_seq_scheme.entity_id
_pdbx_poly_seq_scheme.hetero
_pdbx_poly_seq_scheme.mon_id
_pdbx_poly_seq_scheme.pdb_ins_code
_pdbx_poly_seq_scheme.pdb_seq_num
_pdbx_poly_seq_scheme.pdb_strand_id
_pdbx_poly_seq_scheme.seq_id
A 1  1 n MET . 1  A 1  
A 2  1 n LYS . 2  A 2  
A 3  1 n ILE . 3  A 3  
A 4  1 n ILE . 4  A 4  
A 5  1 n THR . 5  A 5  
A 6  1 n TYR . 6  A 6  
A 7  1 n PHE . 7  A 7  
A 8  1 n CYS . 8  A 8  
A 9  1 n ILE . 9  A 9  
A 10 1 n TRP . 10 A 10 
A 11 1 n ALA . 11 A 11 
A 12 1 n VAL . 12 A 12 
A 13 1 n ALA . 13 A 13 
A 14 1 n TRP . 14 A 14 
A 15 1 n ALA . 15 A 15 
#
_software.classification other
_software.date           ?
_software.description    "Structure prediction"
_software.name           AlphaFold
_software.pdbx_ordinal   1
_software.type           package
_software.version        "AlphaFold-beta-20231127 (9ceee3b5f7825b611ab42eaad843248507ced2da1e745fa3b3d93c6c4ad3ca74)"
#
_struct_asym.entity_id 1
_struct_asym.id        A
#
loop_
_atom_site.group_PDB
_atom_site.id
_atom_site.type_symbol
_atom_site.label_atom_id
_atom_site.label_alt_id
_atom_site.label_comp_id
_atom_site.label_asym_id
_atom_site.label_entity_id
_atom_site.label_seq_id
_atom_site.pdbx_PDB_ins_code
_atom_site.Cartn_x
_atom_site.Cartn_y
_atom_site.Cartn_z
_atom_site.occupancy
_atom_site.B_iso_or_equiv
_atom_site.auth_seq_id
_atom_site.auth_asym_id
_atom_site.pdbx_PDB_model_num
ATOM 1   N N   . MET A 1 1  ? -11.182 1.706  5.247  1.00 91.93 1  A 1 
ATOM 2   C CA  . MET A 1 1  ? -9.929  0.987  5.003  1.00 93.62 1  A 1 
ATOM 3   C C   . MET A 1 1  ? -9.044  1.720  3.995  1.00 94.96 1  A 1 
ATOM 4   O O   . MET A 1 1  ? -8.452  1.113  3.108  1.00 91.89 1  A 1 
ATOM 5   C CB  . MET A 1 1  ? -10.233 -0.417 4.488  1.00 89.59 1  A 1 
ATOM 6   C CG  . MET A 1 1  ? -10.056 -1.479 5.549  1.00 84.12 1  A 1 
ATOM 7   S SD  . MET A 1 1  ? -10.342 -3.121 4.912  1.00 80.14 1  A 1 
ATOM 8   C CE  . MET A 1 1  ? -10.006 -4.087 6.368  1.00 69.85 1  A 1 
ATOM 9   N N   . LYS A 1 2  ? -8.981  3.017  4.158  1.00 93.83 2  A 1 
ATOM 10  C CA  . LYS A 1 2  ? -8.152  3.825  3.259  1.00 95.84 2  A 1 
ATOM 11  C C   . LYS A 1 2  ? -6.703  3.851  3.732  1.00 97.11 2  A 1 
ATOM 12  O O   . LYS A 1 2  ? -5.788  4.075  2.942  1.00 96.52 2  A 1 
ATOM 13  C CB  . LYS A 1 2  ? -8.711  5.245  3.174  1.00 93.76 2  A 1 
ATOM 14  C CG  . LYS A 1 2  ? -9.538  5.461  1.926  1.00 87.07 2  A 1 
ATOM 15  C CD  . LYS A 1 2  ? -9.959  6.908  1.793  1.00 84.38 2  A 1 
ATOM 16  C CE  . LYS A 1 2  ? -10.244 7.254  0.346  1.00 77.37 2  A 1 
ATOM 17  N NZ  . LYS A 1 2  ? -11.529 6.663  -0.113 1.00 70.54 2  A 1 
ATOM 18  N N   . ILE A 1 3  ? -6.511  3.618  5.013  1.00 97.48 3  A 1 
ATOM 19  C CA  . ILE A 1 3  ? -5.172  3.612  5.584  1.00 97.71 3  A 1 
ATOM 20  C C   . ILE A 1 3  ? -4.362  2.455  5.024  1.00 98.04 3  A 1 
ATOM 21  O O   . ILE A 1 3  ? -3.161  2.575  4.788  1.00 97.62 3  A 1 
ATOM 22  C CB  . ILE A 1 3  ? -5.231  3.502  7.114  1.00 97.31 3  A 1 
ATOM 23  C CG1 . ILE A 1 3  ? -6.271  4.477  7.668  1.00 95.03 3  A 1 
ATOM 24  C CG2 . ILE A 1 3  ? -3.856  3.790  7.696  1.00 95.11 3  A 1 
ATOM 25  C CD1 . ILE A 1 3  ? -6.030  5.901  7.223  1.00 90.42 3  A 1 
ATOM 26  N N   . ILE A 1 4  ? -5.037  1.328  4.829  1.00 98.18 4  A 1 
ATOM 27  C CA  . ILE A 1 4  ? -4.380  0.136  4.307  1.00 98.08 4  A 1 
ATOM 28  C C   . ILE A 1 4  ? -3.865  0.395  2.901  1.00 98.14 4  A 1 
ATOM 29  O O   . ILE A 1 4  ? -2.786  -0.058 2.519  1.00 97.89 4  A 1 
ATOM 30  C CB  . ILE A 1 4  ? -5.345  -1.061 4.290  1.00 97.99 4  A 1 
ATOM 31  C CG1 . ILE A 1 4  ? -6.083  -1.171 5.626  1.00 96.27 4  A 1 
ATOM 32  C CG2 . ILE A 1 4  ? -4.571  -2.342 3.998  1.00 96.39 4  A 1 
ATOM 33  C CD1 . ILE A 1 4  ? -5.146  -1.214 6.816  1.00 91.14 4  A 1 
ATOM 34  N N   . THR A 1 5  ? -4.652  1.111  2.133  1.00 97.92 5  A 1 
ATOM 35  C CA  . THR A 1 5  ? -4.291  1.426  0.754  1.00 97.94 5  A 1 
ATOM 36  C C   . THR A 1 5  ? -3.015  2.265  0.719  1.00 98.08 5  A 1 
ATOM 37  O O   . THR A 1 5  ? -2.098  1.988  -0.057 1.00 97.96 5  A 1 
ATOM 38  C CB  . THR A 1 5  ? -5.423  2.197  0.067  1.00 97.80 5  A 1 
ATOM 39  O OG1 . THR A 1 5  ? -6.654  1.514  0.263  1.00 92.91 5  A 1 
ATOM 40  C CG2 . THR A 1 5  ? -5.147  2.319  -1.428 1.00 91.49 5  A 1 
ATOM 41  N N   . TYR A 1 6  ? -2.968  3.265  1.567  1.00 98.12 6  A 1 
ATOM 42  C CA  . TYR A 1 6  ? -1.802  4.137  1.632  1.00 98.18 6  A 1 
ATOM 43  C C   . TYR A 1 6  ? -0.580  3.365  2.122  1.00 98.20 6  A 1 
ATOM 44  O O   . TYR A 1 6  ? 0.525   3.529  1.605  1.00 98.01 6  A 1 
ATOM 45  C CB  . TYR A 1 6  ? -2.072  5.299  2.581  1.00 98.10 6  A 1 
ATOM 46  C CG  . TYR A 1 6  ? -3.194  6.198  2.114  1.00 96.43 6  A 1 
ATOM 47  C CD1 . TYR A 1 6  ? -3.469  6.349  0.761  1.00 94.29 6  A 1 
ATOM 48  C CD2 . TYR A 1 6  ? -3.954  6.906  3.034  1.00 95.06 6  A 1 
ATOM 49  C CE1 . TYR A 1 6  ? -4.489  7.184  0.332  1.00 94.09 6  A 1 
ATOM 50  C CE2 . TYR A 1 6  ? -4.973  7.750  2.613  1.00 94.19 6  A 1 
ATOM 51  C CZ  . TYR A 1 6  ? -5.235  7.880  1.262  1.00 94.55 6  A 1 
ATOM 52  O OH  . TYR A 1 6  ? -6.240  8.710  0.842  1.00 92.82 6  A 1 
ATOM 53  N N   . PHE A 1 7  ? -0.801  2.524  3.115  1.00 98.23 7  A 1 
ATOM 54  C CA  . PHE A 1 7  ? 0.277   1.726  3.683  1.00 98.17 7  A 1 
ATOM 55  C C   . PHE A 1 7  ? 0.838   0.761  2.641  1.00 98.33 7  A 1 
ATOM 56  O O   . PHE A 1 7  ? 2.051   0.590  2.520  1.00 98.18 7  A 1 
ATOM 57  C CB  . PHE A 1 7  ? -0.249  0.947  4.885  1.00 98.00 7  A 1 
ATOM 58  C CG  . PHE A 1 7  ? 0.731   0.938  6.030  1.00 97.21 7  A 1 
ATOM 59  C CD1 . PHE A 1 7  ? 2.025   0.491  5.842  1.00 95.05 7  A 1 
ATOM 60  C CD2 . PHE A 1 7  ? 0.346   1.376  7.286  1.00 95.58 7  A 1 
ATOM 61  C CE1 . PHE A 1 7  ? 2.931   0.485  6.886  1.00 94.44 7  A 1 
ATOM 62  C CE2 . PHE A 1 7  ? 1.244   1.367  8.338  1.00 94.54 7  A 1 
ATOM 63  C CZ  . PHE A 1 7  ? 2.538   0.921  8.138  1.00 94.81 7  A 1 
ATOM 64  N N   . CYS A 1 8  ? -0.054  0.142  1.887  1.00 98.19 8  A 1 
ATOM 65  C CA  . CYS A 1 8  ? 0.345   -0.811 0.855  1.00 98.30 8  A 1 
ATOM 66  C C   . CYS A 1 8  ? 1.158   -0.120 -0.240 1.00 98.44 8  A 1 
ATOM 67  O O   . CYS A 1 8  ? 2.247   -0.558 -0.593 1.00 98.24 8  A 1 
ATOM 68  C CB  . CYS A 1 8  ? -0.892  -1.476 0.249  1.00 98.12 8  A 1 
ATOM 69  S SG  . CYS A 1 8  ? -0.939  -3.256 0.531  1.00 94.61 8  A 1 
ATOM 70  N N   . ILE A 1 9  ? 0.608   0.943  -0.765 1.00 98.28 9  A 1 
ATOM 71  C CA  . ILE A 1 9  ? 1.277   1.702  -1.820 1.00 98.25 9  A 1 
ATOM 72  C C   . ILE A 1 9  ? 2.624   2.227  -1.335 1.00 98.32 9  A 1 
ATOM 73  O O   . ILE A 1 9  ? 3.631   2.155  -2.048 1.00 98.06 9  A 1 
ATOM 74  C CB  . ILE A 1 9  ? 0.398   2.879  -2.269 1.00 98.06 9  A 1 
ATOM 75  C CG1 . ILE A 1 9  ? -0.916  2.368  -2.853 1.00 97.00 9  A 1 
ATOM 76  C CG2 . ILE A 1 9  ? 1.142   3.712  -3.311 1.00 96.89 9  A 1 
ATOM 77  C CD1 . ILE A 1 9  ? -1.969  3.444  -2.943 1.00 93.19 9  A 1 
ATOM 78  N N   . TRP A 1 10 ? 2.620   2.754  -0.123 1.00 98.14 10 A 1 
ATOM 79  C CA  . TRP A 1 10 ? 3.840   3.297  0.464  1.00 97.99 10 A 1 
ATOM 80  C C   . TRP A 1 10 ? 4.890   2.202  0.613  1.00 98.15 10 A 1 
ATOM 81  O O   . TRP A 1 10 ? 6.052   2.391  0.260  1.00 97.88 10 A 1 
ATOM 82  C CB  . TRP A 1 10 ? 3.527   3.907  1.827  1.00 97.72 10 A 1 
ATOM 83  C CG  . TRP A 1 10 ? 4.583   4.851  2.300  1.00 96.82 10 A 1 
ATOM 84  C CD1 . TRP A 1 10 ? 4.721   6.156  1.948  1.00 95.08 10 A 1 
ATOM 85  C CD2 . TRP A 1 10 ? 5.661   4.571  3.204  1.00 96.46 10 A 1 
ATOM 86  N NE1 . TRP A 1 10 ? 5.816   6.706  2.570  1.00 94.57 10 A 1 
ATOM 87  C CE2 . TRP A 1 10 ? 6.415   5.760  3.352  1.00 96.04 10 A 1 
ATOM 88  C CE3 . TRP A 1 10 ? 6.067   3.428  3.900  1.00 95.09 10 A 1 
ATOM 89  C CZ2 . TRP A 1 10 ? 7.543   5.824  4.168  1.00 95.03 10 A 1 
ATOM 90  C CZ3 . TRP A 1 10 ? 7.189   3.494  4.712  1.00 92.66 10 A 1 
ATOM 91  C CH2 . TRP A 1 10 ? 7.915   4.681  4.841  1.00 92.52 10 A 1 
ATOM 92  N N   . ALA A 1 11 ? 4.477   1.069  1.127  1.00 98.35 11 A 1 
ATOM 93  C CA  . ALA A 1 11 ? 5.387   -0.056 1.331  1.00 98.30 11 A 1 
ATOM 94  C C   . ALA A 1 11 ? 5.940   -0.565 0.005  1.00 98.44 11 A 1 
ATOM 95  O O   . ALA A 1 11 ? 7.116   -0.904 -0.092 1.00 98.06 11 A 1 
ATOM 96  C CB  . ALA A 1 11 ? 4.660   -1.180 2.054  1.00 97.83 11 A 1 
ATOM 97  N N   . VAL A 1 12 ? 5.100   -0.629 -1.009 1.00 98.38 12 A 1 
ATOM 98  C CA  . VAL A 1 12 ? 5.513   -1.108 -2.328 1.00 98.28 12 A 1 
ATOM 99  C C   . VAL A 1 12 ? 6.580   -0.194 -2.915 1.00 98.37 12 A 1 
ATOM 100 O O   . VAL A 1 12 ? 7.580   -0.658 -3.471 1.00 97.94 12 A 1 
ATOM 101 C CB  . VAL A 1 12 ? 4.314   -1.177 -3.284 1.00 97.83 12 A 1 
ATOM 102 C CG1 . VAL A 1 12 ? 4.778   -1.522 -4.690 1.00 96.30 12 A 1 
ATOM 103 C CG2 . VAL A 1 12 ? 3.321   -2.210 -2.792 1.00 96.08 12 A 1 
ATOM 104 N N   . ALA A 1 13 ? 6.357   1.084  -2.811 1.00 98.38 13 A 1 
ATOM 105 C CA  . ALA A 1 13 ? 7.304   2.066  -3.333 1.00 98.32 13 A 1 
ATOM 106 C C   . ALA A 1 13 ? 8.602   2.059  -2.537 1.00 98.43 13 A 1 
ATOM 107 O O   . ALA A 1 13 ? 9.676   2.315  -3.082 1.00 97.99 13 A 1 
ATOM 108 C CB  . ALA A 1 13 ? 6.686   3.454  -3.296 1.00 97.86 13 A 1 
ATOM 109 N N   . TRP A 1 14 ? 8.480   1.781  -1.251 1.00 97.85 14 A 1 
ATOM 110 C CA  . TRP A 1 14 ? 9.638   1.734  -0.368 1.00 97.60 14 A 1 
ATOM 111 C C   . TRP A 1 14 ? 10.125  0.299  -0.163 1.00 97.79 14 A 1 
ATOM 112 O O   . TRP A 1 14 ? 10.783  0.007  0.824  1.00 97.05 14 A 1 
ATOM 113 C CB  . TRP A 1 14 ? 9.253   2.363  0.980  1.00 96.91 14 A 1 
ATOM 114 C CG  . TRP A 1 14 ? 9.620   3.819  1.106  1.00 94.82 14 A 1 
ATOM 115 C CD1 . TRP A 1 14 ? 10.077  4.445  2.225  1.00 92.71 14 A 1 
ATOM 116 C CD2 . TRP A 1 14 ? 9.563   4.832  0.104  1.00 94.27 14 A 1 
ATOM 117 N NE1 . TRP A 1 14 ? 10.305  5.770  1.977  1.00 92.40 14 A 1 
ATOM 118 C CE2 . TRP A 1 14 ? 9.997   6.053  0.678  1.00 93.94 14 A 1 
ATOM 119 C CE3 . TRP A 1 14 ? 9.198   4.856  -1.243 1.00 92.53 14 A 1 
ATOM 120 C CZ2 . TRP A 1 14 ? 10.063  7.246  -0.040 1.00 92.46 14 A 1 
ATOM 121 C CZ3 . TRP A 1 14 ? 9.265   6.044  -1.957 1.00 89.50 14 A 1 
ATOM 122 C CH2 . TRP A 1 14 ? 9.691   7.221  -1.360 1.00 88.91 14 A 1 
ATOM 123 N N   . ALA A 1 15 ? 9.814   -0.582 -1.098 1.00 97.11 15 A 1 
ATOM 124 C CA  . ALA A 1 15 ? 10.189  -1.985 -0.979 1.00 96.27 15 A 1 
ATOM 125 C C   . ALA A 1 15 ? 11.710  -2.138 -0.936 1.00 95.86 15 A 1 
ATOM 126 O O   . ALA A 1 15 ? 12.396  -1.525 -1.768 1.00 93.24 15 A 1 
ATOM 127 C CB  . ALA A 1 15 ? 9.611   -2.790 -2.125 1.00 94.20 15 A 1 
ATOM 128 O OXT . ALA A 1 15 ? 12.216  -2.884 -0.092 1.00 86.04 15 A 1 
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